SCHEMBL7734334

SCHEMBL7734334

CCC(CC)NC(=N)NC(=N)c1ccc(-c2ccco2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 5/20 0.38
FFAR1 O14842 1/20 0.38
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT6 Q96LA8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7732992 0.84 NQO2 (0.42) TDP1ALDH1A1HTT
Hydrochloric Acid SCHEMBL8696985 0.75 TAAR1 (0.46) SLC6A4SLC6A3SLC6A2TDP1TAAR1
SCHEMBL27612097 0.70 ALDH1A1 (0.45) SLC6A4SLC6A3SLC6A2TDP1TAAR1
SCHEMBL8347572 0.69 TAAR1 (0.42) SLC6A4SLC6A3SLC6A2TAAR1FFAR1
SCHEMBL8349629 0.68 TAAR1 (0.47) SLC6A4SLC6A3SLC6A2TAAR1HDAC1
SCHEMBL5312097 0.67 TAAR1 (0.46) SLC6A4SLC6A3SLC6A2TDP1TAAR1
SCHEMBL8346288 0.67 TAAR1 (0.45) SLC6A4SLC6A3SLC6A2TDP1TAAR1
SCHEMBL7861192 0.66 NQO2 (0.60) TDP1TAAR1ALDH1A1F2F10
SCHEMBL8345399 0.65 HDAC3 (0.41) SLC6A4SLC6A3SLC6A2TAAR1HDAC6
Hydrochloric Acid SCHEMBL9079642 0.65 TOP2A (0.61) TDP1TAAR1ALDH1A1KMT2AF2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792271-B1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM UNIV GEORGIA STATE RES FOUND (US) 2002-02-27 EP claimed